SCHEMBL22844652

SCHEMBL22844652

CC(C)COC(=O)C1=C(CI)SC2[C@@H]([C@@H](C)O[Si](C)(C)C(C)(C)C)C(=O)N12

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.41
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL25607708 1.00 ELANE (0.41) ELANEALDH1A1HPGDTSHRNPSR1
SCHEMBL25607704 0.90 ELANE (0.41) ELANEALDH1A1HPGDTSHRNPSR1
SCHEMBL22844659 0.90 ELANE (0.41) ELANEALDH1A1HPGDTSHRNPSR1
SCHEMBL23258105 0.89 ELANE (0.41) ELANEALDH1A1HPGDTSHRNPSR1
SCHEMBL25607702 0.89 ELANE (0.41) ELANEALDH1A1HPGDTSHRNPSR1
SCHEMBL25601304 0.88 ELANE (0.38) ELANE
SCHEMBL22844682 0.88 ELANE (0.39) ELANE
SCHEMBL25601207 0.88 ELANE (0.39) ELANE
SCHEMBL22844653 0.85 ELANE (0.37) ELANE
SCHEMBL25607706 0.85 ELANE (0.37) ELANE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021076197-A1 CONJUGATE MOLECULES DIVERSE BIOTECH, INC. (US) 2021-04-22 WO disclosed
WO-2020263975-A1 BETA-LACTAM-CANNABINOID CONJUGATE MOLECULES DIVERSE BIOTECH, INC. (US) 2020-12-30 WO disclosed